Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H13N5O2/c1-9-7-13(17-15-9)19-8-12(16-18-19)10-3-5-11(6-4-10)14(20)21-2/h3-8H,1-2H3,(H,15,17)
SMILES COC(=O)c1ccc(cc1)c1nnn(c1)c1n[nH]c(c1)C
InChI Key ICPVQAYXOPZIKF-UHFFFAOYSA-N
Molecular Formula C14H13N5O2
Exact Mass 283.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICPVQAYXOPZIKF-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/ICPVQAYXOPZIKF-UHFFFAOYSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • methyl 4-[1-(5-methyl-1H-pyrazol-3-yl)triazol-4-yl]benzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459322 pubchem
    The data in this table is sourced from UniChem at EBI.